0000000000341415

AUTHOR

Jean-louis Calais

showing 2 related works from this author

Calculations of the geometry and optical properties ofFMgcenters and dimer (F2-type) centers in corundum crystals

1995

CALCULATIONS OF THE GEOMETRY AND OPTICAL-PROPERTIES OF F-MG CENTERS AND DIMER (F-2-TYPE) CENTERS IN CORUNDUM CRYSTALS

chemistry.chemical_compoundMaterials sciencechemistrySiliconDimerOxideengineeringchemistry.chemical_elementCorundumGeometryengineering.materialLuminescencePhysical Review B
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Calculations of the ground and excited states ofF-type centers in corundum crystals

1994

The semiempirical intermediate neglect of differential overlap method was used for calculating optical properties of ${\mathit{F}}^{+}$ and F centers (oxygen vacancy trapped one and two electrons, respectively) embedded into large quantum clusters, ${\mathrm{Al}}_{26}$${\mathrm{O}}_{39}$. The geometry was optimized for both the ground and excited states of defects. Calculated absorption and luminescence energies obtained for ${\mathit{F}}^{+}$ and F centers are in good agreement with experimental data. Their energy levels lie in the gap between the upper valence band and conduction band, like for similar centers in MgO and alkali halides. It is shown that the oxygen vacancy in corundum crys…

PhysicsCorundumElectronengineering.materialType (model theory)Alkali metalCondensed Matter::Materials ScienceExcited statePhysics::Atomic and Molecular ClustersengineeringAbsorption (logic)Atomic physicsLuminescenceEnergy (signal processing)Physical Review B
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